#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfe s ARG 4 N 0.00 4.58 0.21 1.97 0.52 -1.26 -0.44 118.95 124.54 3dfe s ARG 4 Ca 0.00 1.54 -0.00 0.00 -0.52 0.00 0.00 55.73 56.75 3dfe s ARG 4 Cb 0.00 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3dfe s ARG 4 CO 0.00 0.01 0.12 0.00 0.02 0.00 0.00 175.30 175.46 3dfe s ALA 5 N 0.51 1.30 -0.25 2.13 0.00 0.36 -4.93 121.76 120.88 3dfe s ALA 5 Ca 0.51 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 3dfe s ALA 5 Cb -0.25 1.32 -0.05 0.00 0.00 0.00 0.00 23.12 24.15 3dfe s ALA 5 CO 0.30 -0.56 0.15 -0.80 0.00 0.00 0.00 175.76 174.84 3dfe s ASN 6 N -3.20 5.92 -0.54 0.00 0.01 -1.25 -1.37 114.94 114.51 3dfe s ASN 6 Ca 0.39 0.04 -0.18 0.00 -0.71 0.00 0.00 52.86 52.40 3dfe s ASN 6 Cb 0.07 -2.07 0.10 0.00 0.41 0.00 0.00 41.25 39.76 3dfe s ASN 6 CO 0.13 0.03 0.58 -0.75 -1.51 0.00 0.00 177.10 175.58 3dfe s LYS 7 N 1.23 3.03 -0.11 -0.60 2.20 0.50 -0.92 119.74 125.08 3dfe s LYS 7 Ca 0.07 -1.37 -0.25 0.00 -0.36 0.00 0.00 55.97 54.05 3dfe s LYS 7 Cb -0.14 -4.23 -0.02 0.00 -1.51 0.00 0.00 37.83 31.92 3dfe s LYS 7 CO 0.06 -1.35 0.81 -1.17 -0.36 0.00 0.00 175.35 173.34 3dfe s LEU 8 N 2.19 4.26 -0.12 5.43 2.96 0.11 -1.15 118.68 132.36 3dfe s LEU 8 Ca 0.08 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 3dfe s LEU 8 Cb -0.25 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 3dfe s LEU 8 CO 0.06 -0.28 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.95 3dfe s VAL 9 N 1.50 2.63 -0.21 1.68 1.01 0.74 -0.84 120.40 126.91 3dfe s VAL 9 Ca 0.40 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3dfe s VAL 9 Cb -0.18 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.16 3dfe s VAL 9 CO 0.17 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 175.03 3dfe s ILE 10 N 0.44 1.97 -0.21 2.22 1.01 -0.54 -1.58 121.20 124.51 3dfe s ILE 10 Ca -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.35 3dfe s ILE 10 Cb -0.17 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3dfe s ILE 10 CO 0.06 0.29 -0.05 -0.69 0.00 0.00 0.00 174.94 174.55 3dfe s VAL 11 N 1.27 3.39 0.11 2.92 1.01 -0.42 -0.61 120.40 128.08 3dfe s VAL 11 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3dfe s VAL 11 Cb -0.16 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3dfe s VAL 11 CO -0.10 0.43 0.17 1.07 0.00 0.00 0.00 175.10 176.68 3dfe n THR 12 N 4.62 0.00 -2.46 3.92 5.66 -0.73 -0.89 114.28 124.40 3dfe n THR 12 Ca -0.18 -0.49 -0.39 0.00 -3.05 0.00 0.00 64.05 59.94 3dfe n THR 12 Cb 0.51 0.33 -0.04 0.00 -1.55 0.00 0.00 70.33 69.58 3dfe n THR 12 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dfe s GLU 13 N -2.20 4.42 0.50 1.09 2.02 -1.24 -0.72 118.70 122.57 3dfe s GLU 13 Ca 0.08 1.74 0.18 0.00 0.02 0.00 0.00 54.97 56.99 3dfe s GLU 13 Cb -0.01 -2.93 1.23 0.00 0.10 0.00 0.00 34.13 32.52 3dfe s GLU 13 CO 0.06 0.03 2.04 -0.22 0.02 0.00 0.00 175.26 177.19 3dfe h LYS 14 N 3.27 0.13 -0.18 1.61 3.64 -1.73 -1.69 116.57 121.63 3dfe h LYS 14 Ca -0.47 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.95 3dfe h LYS 14 Cb 1.22 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3dfe h LYS 14 CO 0.65 0.09 0.18 -0.39 -2.27 0.00 0.00 179.45 177.71 3dfe h VAL 15 N 0.14 0.54 -0.29 2.00 -1.51 -1.92 -1.70 116.25 113.51 3dfe h VAL 15 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 3dfe h VAL 15 Cb 0.52 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3dfe h VAL 15 CO -0.02 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.50 3dfe n LEU 16 N -3.91 1.88 0.02 4.19 4.77 -0.64 -4.54 117.00 118.77 3dfe n LEU 16 Ca 0.01 -0.88 -0.11 0.00 -0.03 0.00 0.00 56.01 55.00 3dfe n LEU 16 Cb 0.30 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3dfe n LEU 16 CO 0.29 0.44 0.63 0.25 -1.33 0.00 0.00 177.39 177.67 3dfe h LEU 17 N 2.22 -1.07 -0.54 2.23 6.46 -1.46 0.84 115.31 124.00 3dfe h LEU 17 Ca 0.00 0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3dfe h LEU 17 Cb 0.50 0.44 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 3dfe h LEU 17 CO 0.00 -0.39 0.13 0.11 -0.62 0.00 0.00 178.44 177.67 3dfe h LYS 18 N -0.45 0.86 -0.12 1.25 1.57 -1.84 -0.21 116.57 117.63 3dfe h LYS 18 Ca 0.08 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3dfe h LYS 18 Cb 0.58 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3dfe h LYS 18 CO -0.34 0.82 0.06 0.87 -0.57 0.00 0.00 179.45 180.30 3dfe h LYS 19 N 0.76 0.16 -0.41 3.15 6.56 -1.77 -1.82 116.57 123.19 3dfe h LYS 19 Ca 0.17 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.61 3dfe h LYS 19 Cb 0.35 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 3dfe h LYS 19 CO 0.00 0.19 -0.24 0.28 -2.06 0.00 0.00 179.45 177.62 3dfe h VAL 20 N 0.09 1.27 -0.71 0.50 2.07 -0.74 -2.61 116.25 116.11 3dfe h VAL 20 Ca 0.04 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.23 3dfe h VAL 20 Cb 0.07 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3dfe h VAL 20 CO -0.01 0.46 0.43 0.00 0.02 0.00 0.00 177.57 178.48 3dfe h ALA 21 N 1.00 0.95 -0.81 1.67 0.00 -0.93 -1.59 119.26 119.54 3dfe h ALA 21 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dfe h ALA 21 Cb 0.78 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3dfe h ALA 21 CO 0.06 0.18 0.50 1.57 0.00 0.00 0.00 179.25 181.56 3dfe h LYS 22 N 0.83 1.09 -0.49 0.00 2.10 -1.07 -1.43 116.57 117.60 3dfe h LYS 22 Ca 0.30 -0.09 -0.04 0.00 -2.00 0.00 0.00 60.65 58.82 3dfe h LYS 22 Cb 0.09 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 31.16 3dfe h LYS 22 CO -0.14 0.76 0.15 0.82 -2.00 0.00 0.00 179.45 179.04 3dfe h ILE 23 N 1.11 1.23 0.22 0.07 2.04 -1.09 0.97 117.51 122.06 3dfe h ILE 23 Ca 0.29 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3dfe h ILE 23 Cb -0.06 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3dfe h ILE 23 CO -0.06 0.28 -0.11 0.40 0.00 0.00 0.00 178.15 178.67 3dfe h ILE 24 N 0.66 0.78 -0.14 -0.67 2.04 -0.98 -0.53 117.51 118.67 3dfe h ILE 24 Ca 0.16 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.01 3dfe h ILE 24 Cb 0.28 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3dfe h ILE 24 CO -0.00 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.90 3dfe h GLU 25 N -0.31 0.16 0.00 2.37 5.08 -1.17 -2.41 114.58 118.31 3dfe h GLU 25 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3dfe h GLU 25 Cb 0.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dfe h GLU 25 CO 0.05 0.11 -0.08 0.93 -1.00 0.00 0.00 179.01 179.02 3dfe h GLU 26 N 0.17 0.00 0.00 2.33 5.08 -0.72 -1.59 114.58 119.85 3dfe h GLU 26 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3dfe h GLU 26 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3dfe h GLU 26 CO -0.03 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 3dfe h ALA 27 N 1.92 1.00 0.00 3.43 0.00 -0.62 -3.47 119.26 121.52 3dfe h ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dfe h ALA 27 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dfe h ALA 27 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3dfe n GLY 28 N 0.43 1.13 3.74 0.00 0.00 -0.60 -5.06 105.19 104.82 3dfe n GLY 28 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3dfe n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfe s ALA 29 N -2.00 3.83 -0.08 4.61 0.00 -0.96 -4.88 121.76 122.28 3dfe s ALA 29 Ca 0.00 1.57 0.23 0.00 0.00 0.00 0.00 51.96 53.76 3dfe s ALA 29 Cb 0.00 -3.67 0.62 0.00 0.00 0.00 0.00 23.12 20.07 3dfe s ALA 29 CO 0.00 -0.95 1.70 1.79 0.00 0.00 0.00 175.76 178.29 3dfe h THR 30 N 3.59 0.43 -1.31 0.00 1.35 -1.90 -3.44 112.91 111.64 3dfe h THR 30 Ca -0.45 -1.30 0.34 0.00 -0.55 0.00 0.00 66.41 64.45 3dfe h THR 30 Cb 1.21 1.96 -0.14 0.00 -1.73 0.00 0.00 68.15 69.46 3dfe h THR 30 CO 0.87 0.21 0.88 -0.83 -0.25 0.00 0.00 175.52 176.40 3dfe s GLY 31 N -4.30 -0.42 0.06 5.82 0.00 -1.26 -5.16 107.32 102.06 3dfe s GLY 31 Ca 0.03 0.91 -0.27 0.00 0.00 0.00 0.00 44.72 45.40 3dfe s GLY 31 CO 0.66 0.20 0.64 -2.52 0.00 0.00 0.00 173.10 172.08 3dfe s TYR 32 N -2.29 -0.59 0.01 1.90 -0.85 -1.26 -4.49 117.35 109.77 3dfe s TYR 32 Ca 0.14 0.70 0.02 0.00 -0.52 0.00 0.00 57.07 57.41 3dfe s TYR 32 Cb 0.05 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 3dfe s TYR 32 CO -0.05 -0.74 -0.00 0.99 -1.52 0.00 0.00 175.55 174.23 3dfe s THR 33 N -2.55 4.11 -0.01 -3.49 2.01 -0.37 -4.96 115.64 110.38 3dfe s THR 33 Ca -0.05 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3dfe s THR 33 Cb -0.01 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.67 3dfe s THR 33 CO -0.02 0.35 0.00 0.54 -0.69 0.00 0.00 174.62 174.80 3dfe s VAL 34 N -1.11 0.04 0.05 3.82 0.11 -1.26 -1.12 120.40 120.93 3dfe s VAL 34 Ca 0.20 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.35 3dfe s VAL 34 Cb -0.12 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 3dfe s VAL 34 CO 0.11 0.06 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.13 3dfe s VAL 35 N 0.46 0.87 0.13 2.04 1.01 -0.35 -4.95 120.40 119.60 3dfe s VAL 35 Ca -0.04 -1.05 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 3dfe s VAL 35 Cb -0.06 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 3dfe s VAL 35 CO -0.01 -0.18 0.81 -1.81 0.00 0.00 0.00 175.10 173.90 3dfe s ASP 36 N -1.37 7.36 0.05 3.32 1.01 -1.26 -0.34 116.67 125.44 3dfe s ASP 36 Ca -0.03 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.85 3dfe s ASP 36 Cb -0.09 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 3dfe s ASP 36 CO 0.01 0.11 -0.04 0.42 0.21 0.00 0.00 175.17 175.88 3dfe s THR 37 N -0.66 0.31 0.19 -1.27 -4.23 -0.86 -4.89 115.64 104.21 3dfe s THR 37 Ca 0.38 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 3dfe s THR 37 Cb -0.22 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.64 3dfe s THR 37 CO 0.26 -0.72 0.22 0.61 -0.54 0.00 0.00 174.62 174.45 3dfe n GLY 38 N 0.77 2.27 0.00 3.99 0.00 -1.26 -1.49 105.19 109.47 3dfe n GLY 38 Ca -0.18 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.66 3dfe n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfe n GLY 39 N 2.73 1.38 0.56 -0.02 0.00 -1.26 -4.88 105.19 103.71 3dfe n GLY 39 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3dfe n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dfe n SER 58 N 0.00 0.00 -4.72 1.61 2.88 -1.24 -5.30 113.62 106.85 3dfe n SER 58 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3dfe n SER 58 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3dfe n SER 58 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3dfe s ASN 59 N -0.72 4.09 0.00 -3.46 0.01 -0.56 -2.55 114.94 111.76 3dfe s ASN 59 Ca 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 52.86 50.66 3dfe s ASN 59 Cb 0.00 0.13 -0.00 0.00 0.41 0.00 0.00 41.25 41.79 3dfe s ASN 59 CO 0.00 -0.71 -0.01 0.54 -1.51 0.00 0.00 177.10 175.41 3dfe s VAL 60 N -2.80 0.07 -0.20 1.60 0.11 0.11 -2.04 120.40 117.25 3dfe s VAL 60 Ca 0.20 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.16 3dfe s VAL 60 Cb 0.04 -0.08 0.03 0.00 -1.53 0.00 0.00 36.38 34.84 3dfe s VAL 60 CO 0.10 -0.02 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.93 3dfe s LYS 61 N -0.12 2.81 -0.06 1.54 2.20 0.54 -1.77 119.74 124.87 3dfe s LYS 61 Ca -0.01 -0.96 -0.10 0.00 -0.36 0.00 0.00 55.97 54.54 3dfe s LYS 61 Cb -0.01 -2.65 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 3dfe s LYS 61 CO -0.00 -0.30 0.26 -0.06 -0.36 0.00 0.00 175.35 174.89 3dfe s PHE 62 N 1.25 3.65 -0.07 4.03 0.40 0.22 -1.21 117.98 126.25 3dfe s PHE 62 Ca 0.02 0.72 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 3dfe s PHE 62 Cb -0.15 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.31 3dfe s PHE 62 CO -0.11 0.69 -0.15 -1.21 0.70 0.00 0.00 175.22 175.14 3dfe s GLU 63 N -1.09 2.00 -0.05 0.44 2.02 -0.28 -1.47 118.70 120.27 3dfe s GLU 63 Ca 0.19 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.64 3dfe s GLU 63 Cb -0.14 -1.61 0.03 0.00 0.10 0.00 0.00 34.13 32.51 3dfe s GLU 63 CO 0.09 0.08 0.02 0.08 0.02 0.00 0.00 175.26 175.54 3dfe s VAL 64 N 0.54 0.15 -0.38 2.63 1.01 -0.02 -1.24 120.40 123.09 3dfe s VAL 64 Ca -0.15 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 3dfe s VAL 64 Cb -0.16 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3dfe s VAL 64 CO 0.05 0.20 0.65 -0.76 0.00 0.00 0.00 175.10 175.23 3dfe s LEU 65 N 1.76 4.30 0.19 3.92 1.43 -1.26 0.10 118.68 129.12 3dfe s LEU 65 Ca 0.01 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3dfe s LEU 65 Cb -0.13 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 3dfe s LEU 65 CO -0.03 -0.64 0.42 0.42 0.23 0.00 0.00 176.35 176.74 3dfe s THR 66 N 2.76 5.15 0.04 5.49 -4.23 -0.09 -4.81 115.64 119.95 3dfe s THR 66 Ca 0.24 -0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.45 3dfe s THR 66 Cb -0.14 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 69.91 3dfe s THR 66 CO 0.16 -0.11 1.31 1.05 -0.54 0.00 0.00 174.62 176.48 3dfe h GLU 67 N 2.29 -0.59 -5.27 3.99 9.09 -1.95 -3.32 114.58 118.82 3dfe h GLU 67 Ca -0.47 0.04 -0.52 0.00 0.05 0.00 0.00 59.36 58.46 3dfe h GLU 67 Cb 1.18 0.13 -0.14 0.00 -1.65 0.00 0.00 28.75 28.28 3dfe h GLU 67 CO 0.70 -0.40 -0.59 0.54 0.05 0.00 0.00 179.01 179.31 3dfe s ASN 68 N -3.29 2.81 0.15 3.06 4.22 -1.26 -4.75 114.94 115.87 3dfe s ASN 68 Ca -0.10 -1.44 -0.17 0.00 -2.14 0.00 0.00 52.86 49.02 3dfe s ASN 68 Cb 0.02 -0.02 0.02 0.00 1.28 0.00 0.00 41.25 42.55 3dfe s ASN 68 CO 0.33 -0.64 1.78 -0.09 -2.04 0.00 0.00 177.10 176.44 3dfe h ARG 69 N 1.96 0.36 -0.16 3.55 9.65 -1.98 -2.98 114.38 124.77 3dfe h ARG 69 Ca -0.41 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 3dfe h ARG 69 Cb 1.25 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3dfe h ARG 69 CO 0.70 0.24 0.00 0.39 2.80 0.00 0.00 179.97 184.10 3dfe n GLU 70 N -4.93 0.00 0.00 0.20 4.71 -1.26 -1.01 120.64 118.36 3dfe n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3dfe n GLU 70 Cb 0.07 -0.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.81 3dfe n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dfe n ALA 72 N 0.23 0.00 -0.09 0.62 0.00 -1.13 -0.61 120.51 119.53 3dfe n ALA 72 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3dfe n ALA 72 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 3dfe n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3dfe h GLU 73 N 0.00 0.77 -0.35 0.00 5.08 -1.38 -1.86 114.58 116.85 3dfe h GLU 73 Ca 0.00 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3dfe h GLU 73 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3dfe h GLU 73 CO 0.00 0.87 0.13 0.87 -1.00 0.00 0.00 179.01 179.89 3dfe h LYS 74 N 0.69 0.52 -0.77 2.33 1.57 -1.11 0.06 116.57 119.85 3dfe h LYS 74 Ca 0.11 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3dfe h LYS 74 Cb 0.64 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3dfe h LYS 74 CO 0.04 0.52 0.28 0.82 -0.57 0.00 0.00 179.45 180.54 3dfe h ILE 75 N 0.41 1.26 -0.09 1.86 2.04 -1.80 -1.83 117.51 119.36 3dfe h ILE 75 Ca 0.12 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3dfe h ILE 75 Cb 0.20 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3dfe h ILE 75 CO -0.01 0.35 0.03 0.00 0.00 0.00 0.00 178.15 178.52 3dfe h ALA 76 N 1.15 0.12 -0.12 1.87 0.00 -1.07 -1.56 119.26 119.65 3dfe h ALA 76 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dfe h ALA 76 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dfe h ALA 76 CO -0.01 -0.28 0.06 -0.44 0.00 0.00 0.00 179.25 178.57 3dfe h ASP 77 N -0.02 0.10 -0.52 0.00 3.32 -0.92 -1.16 116.42 117.22 3dfe h ASP 77 Ca 0.03 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3dfe h ASP 77 Cb 0.19 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3dfe h ASP 77 CO -0.00 0.07 0.29 1.56 -1.72 0.00 0.00 179.24 179.44 3dfe h GLN 78 N 0.13 0.56 -0.22 3.56 4.20 -1.29 -0.26 115.11 121.79 3dfe h GLN 78 Ca 0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3dfe h GLN 78 Cb 0.00 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3dfe h GLN 78 CO -0.03 0.37 -0.13 0.28 -0.67 0.00 0.00 178.83 178.65 3dfe h VAL 79 N 0.57 1.31 0.35 -0.54 2.07 -1.17 -2.63 116.25 116.21 3dfe h VAL 79 Ca 0.22 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3dfe h VAL 79 Cb 0.07 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3dfe h VAL 79 CO -0.12 0.38 -0.17 0.00 0.02 0.00 0.00 177.57 177.68 3dfe h ALA 80 N 0.69 -0.47 -0.63 1.67 0.00 -1.12 -0.80 119.26 118.60 3dfe h ALA 80 Ca 0.05 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dfe h ALA 80 Cb 0.64 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3dfe h ALA 80 CO 0.04 -0.63 0.36 0.82 0.00 0.00 0.00 179.25 179.84 3dfe h ILE 81 N -0.73 1.01 -0.18 0.00 2.04 -1.16 0.12 117.51 118.61 3dfe h ILE 81 Ca -0.05 -0.23 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 3dfe h ILE 81 Cb 0.50 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3dfe h ILE 81 CO 0.08 0.12 -0.63 0.50 0.00 0.00 0.00 178.15 178.23 3dfe h LYS 82 N 0.68 0.65 0.00 2.37 1.63 -1.47 -3.41 116.57 117.03 3dfe h LYS 82 Ca 0.27 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3dfe h LYS 82 Cb 0.11 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3dfe h LYS 82 CO -0.15 1.07 -0.83 1.19 -3.45 0.00 0.00 179.45 177.28 3dfe n PHE 83 N -3.94 0.00 1.14 1.91 3.72 -0.31 -4.81 117.46 115.17 3dfe n PHE 83 Ca -0.04 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.47 3dfe n PHE 83 Cb 0.66 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.79 3dfe n PHE 83 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3dfe n PHE 84 N -1.33 0.00 0.56 1.38 3.01 0.42 0.48 117.46 121.99 3dfe n PHE 84 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 3dfe n PHE 84 Cb 0.06 -0.23 0.06 0.00 -0.01 0.00 0.00 39.48 39.36 3dfe n PHE 84 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3dfe n THR 85 N -1.23 0.22 -0.02 4.37 -2.24 -1.26 -4.30 114.28 109.82 3dfe n THR 85 Ca 0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3dfe n THR 85 Cb 0.16 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 3dfe n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dfe n ASP 86 N -2.00 3.51 -4.25 3.42 8.00 -0.68 -5.07 116.55 119.48 3dfe n ASP 86 Ca 0.02 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 3dfe n ASP 86 Cb 0.44 0.99 -0.11 0.00 -0.02 0.00 0.00 41.12 42.42 3dfe n ASP 86 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dfe s TYR 87 N -2.31 1.35 0.32 1.24 1.51 0.18 -5.14 117.35 114.51 3dfe s TYR 87 Ca -0.03 -0.64 -0.24 0.00 -1.01 0.00 0.00 57.07 55.16 3dfe s TYR 87 Cb 0.03 -0.69 -0.10 0.00 -0.11 0.00 0.00 41.96 41.09 3dfe s TYR 87 CO 0.26 0.13 0.91 0.00 -1.11 0.00 0.00 175.55 175.74 3dfe s ALA 88 N -2.66 3.22 0.00 3.71 0.00 -1.26 -4.26 121.76 120.50 3dfe s ALA 88 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3dfe s ALA 88 Cb -0.02 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3dfe s ALA 88 CO 0.02 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.39 3dfe n GLY 89 N 0.42 1.66 3.10 0.00 0.00 -1.26 -3.61 105.19 105.50 3dfe n GLY 89 Ca 0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3dfe n GLY 89 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dfe s ILE 90 N -2.00 0.78 -0.04 -0.61 -4.36 -0.07 -5.00 121.20 109.90 3dfe s ILE 90 Ca 0.00 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.30 3dfe s ILE 90 Cb 0.00 -0.79 0.02 0.00 1.25 0.00 0.00 42.46 42.94 3dfe s ILE 90 CO 0.00 -0.26 -0.06 -0.63 0.24 0.00 0.00 174.94 174.23 3dfe s ILE 91 N -1.22 0.63 0.16 8.37 1.01 -1.26 -1.30 121.20 127.58 3dfe s ILE 91 Ca -0.05 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 3dfe s ILE 91 Cb -0.09 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3dfe s ILE 91 CO 0.01 0.24 0.26 -0.72 0.00 0.00 0.00 174.94 174.73 3dfe s TYR 92 N 0.74 0.44 -0.02 3.97 1.13 -0.61 -5.01 117.35 117.98 3dfe s TYR 92 Ca -0.11 -0.80 0.06 0.00 -1.41 0.00 0.00 57.07 54.81 3dfe s TYR 92 Cb -0.13 -0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 3dfe s TYR 92 CO 0.01 -0.70 -0.21 0.42 -2.51 0.00 0.00 175.55 172.56 3dfe s ILE 93 N -3.97 1.67 0.06 -3.49 1.01 -1.26 -0.18 121.20 115.03 3dfe s ILE 93 Ca 0.18 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.02 3dfe s ILE 93 Cb 0.04 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3dfe s ILE 93 CO -0.00 0.47 -0.23 0.00 0.00 0.00 0.00 174.94 175.18 3dfe s GLU 95 N -1.32 4.69 0.05 0.00 2.02 -1.26 -0.37 118.70 122.51 3dfe s GLU 95 Ca 0.09 1.59 0.06 0.00 0.02 0.00 0.00 54.97 56.73 3dfe s GLU 95 Cb -0.09 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3dfe s GLU 95 CO 0.02 0.24 -0.16 0.00 0.02 0.00 0.00 175.26 175.38 3dfe s ALA 96 N -0.46 1.38 -0.33 5.21 0.00 -0.47 -4.85 121.76 122.24 3dfe s ALA 96 Ca 0.46 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 3dfe s ALA 96 Cb -0.27 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.68 3dfe s ALA 96 CO 0.33 0.27 0.07 -2.00 0.00 0.00 0.00 175.76 174.43 3dfe s GLU 97 N -1.26 2.49 -0.08 0.00 2.12 -1.26 -0.48 118.70 120.23 3dfe s GLU 97 Ca 0.03 -1.26 -0.30 0.00 0.36 0.00 0.00 54.97 53.80 3dfe s GLU 97 Cb -0.08 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3dfe s GLU 97 CO 0.02 -0.68 1.09 0.08 -0.54 0.00 0.00 175.26 175.23 3dfe s VAL 98 N 1.32 4.56 -0.26 3.70 1.01 0.42 -4.88 120.40 126.27 3dfe s VAL 98 Ca -0.03 1.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 3dfe s VAL 98 Cb -0.20 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 3dfe s VAL 98 CO 0.01 0.01 -0.24 0.18 0.00 0.00 0.00 175.10 175.06 3dfe n LEU 99 N 5.02 2.23 -3.95 3.92 4.32 -1.26 -2.08 117.00 125.20 3dfe n LEU 99 Ca 0.10 0.23 -0.12 0.00 -0.02 0.00 0.00 56.01 56.19 3dfe n LEU 99 Cb 0.48 -0.87 -0.13 0.00 -1.62 0.00 0.00 43.42 41.28 3dfe n LEU 99 CO 0.53 0.65 -0.37 -0.31 -1.22 0.00 0.00 177.39 176.67 3dfe s TYR 100 N -2.50 0.25 0.00 -1.77 2.02 -1.26 -4.96 117.35 109.13 3dfe s TYR 100 Ca -0.36 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 3dfe s TYR 100 Cb 0.12 -0.17 0.00 0.00 -0.40 0.00 0.00 41.96 41.51 3dfe s TYR 100 CO 0.54 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.86